Geometry & MOs

Info

ID:

90081

PubChem CID:

49966221

Reduced:

FO4N5C34H44 (1)

Stoich.:

AB4C5D34E44 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-214.51

Dipole, Da:

6.66

IP(EA), eV:

 -8.72(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)C)F

DOS

IR

Vibrations